2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C9H14F3N3 — CID 121213238

IUPAC2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CCN
InChIInChI=1S/C9H14F3N3/c1-5(2)7-6(3-4-13)8(15-14-7)9(10,11)12/h5H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyRVRHOKYOTWMYBW-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.05
Rot. Bonds3

About 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 121213238) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID121213238
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CCN
InChIInChI=1S/C9H14F3N3/c1-5(2)7-6(3-4-13)8(15-14-7)9(10,11)12/h5H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyRVRHOKYOTWMYBW-UHFFFAOYSA-N
XLogP2.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 121213238) is 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is CC(C)c1[nH]nc(C(F)(F)F)c1CCN.
What is the InChIKey of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is RVRHOKYOTWMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5(2)7-6(3-4-13)8(15-14-7)9(10,11)12/h5H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 121213238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).